4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine

C12H21FN2O — CID 158879699

IUPAC4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine
SMILESC/C(F)=C(/N1CCCCC1)N1CCOCC1
InChIInChI=1S/C12H21FN2O/c1-11(13)12(14-5-3-2-4-6-14)15-7-9-16-10-8-15/h2-10H2,1H3/b12-11+
InChIKeyBWKSMKAEGUSGMM-VAWYXSNFSA-N
MW228.31 g/mol
LogP1.96
Rot. Bonds2

About 4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine

4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine (PubChem CID 158879699) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is 4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine
PubChem CID158879699
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine
SMILESC/C(F)=C(/N1CCCCC1)N1CCOCC1
InChIInChI=1S/C12H21FN2O/c1-11(13)12(14-5-3-2-4-6-14)15-7-9-16-10-8-15/h2-10H2,1H3/b12-11+
InChIKeyBWKSMKAEGUSGMM-VAWYXSNFSA-N
XLogP1.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine?
The IUPAC name of 4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine (CID 158879699) is 4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine.
What is the SMILES notation for 4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine?
The canonical SMILES for 4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine is C/C(F)=C(/N1CCCCC1)N1CCOCC1.
What is the InChIKey of 4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine?
The InChIKey is BWKSMKAEGUSGMM-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-11(13)12(14-5-3-2-4-6-14)15-7-9-16-10-8-15/h2-10H2,1H3/b12-11+.
What are the key properties of 4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine?
4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine has a molecular weight of 228.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-fluoro-1-piperidin-1-ylprop-1-enyl]morpholine is sourced from PubChem (CID 158879699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).